Home Other Building Blocks 2H-Tetrazole, 5-[4-(methylthio)phenyl]-

2H-Tetrazole, 5-[4-(methylthio)phenyl]-

CAS No.:
138689-79-9
Catalog Number:
AG001915
Molecular Formula:
C8H8N4S
Molecular Weight:
192.2409
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Product Description
Catalog Number:
AG001915
Chemical Name:
2H-Tetrazole, 5-[4-(methylthio)phenyl]-
CAS Number:
138689-79-9
Molecular Formula:
C8H8N4S
Molecular Weight:
192.2409
MDL Number:
MFCD03093097
IUPAC Name:
5-(4-methylsulfanylphenyl)-2H-tetrazole
InChI:
InChI=1S/C8H8N4S/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChI Key:
BKSCIIVDHYXBRU-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1n[nH]nn1
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.24g/mol
Monoisotopic Mass:
192.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties